SCHEMBL28680286

SCHEMBL28680286

CCCCCCCCCCCCc1ncccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNH2 Q12809 2/20 0.43
PPARA Q07869 1/20 0.39
DHFR P00374 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
GRM2 Q14416 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36
TBXAS1 P24557 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
LIPG Q9Y5X9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28130836 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2PPARADHFR
SCHEMBL28667999 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2PPARADHFR
SCHEMBL9143648 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2PPARADHFR
SCHEMBL29467768 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2PPARADHFR
SCHEMBL1469935 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2PPARADHFR
SCHEMBL28676139 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2PPARADHFR
SCHEMBL4625922 0.98 TDP1 (0.49) TDP1L3MBTL1KCNH2PPARADHFR
SCHEMBL10268371 0.93 L3MBTL1 (0.42) TDP1L3MBTL1PPARAGRM2HTT
SCHEMBL3066461 0.85 PDE3B (0.38) L3MBTL1KDM4ELMNAGRM2USP2
SCHEMBL23768448 0.80 TDP1 (0.49) TDP1L3MBTL1KCNH2PPARAALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113893875-A Preparation method of double-bond epoxidation phase transfer catalyst with high recovery rate 泉州师范学院 2022-01-07 CN claimed
CN-113880790-A Phase transfer catalytic synthesis method of 3, 4-epoxy cyclohexyl methyl-3 ',4' -epoxy cyclohexyl formic ether 泉州师范学院 2022-01-04 CN claimed
CN-113880790-A Phase transfer catalytic synthesis method of 3, 4-epoxy cyclohexyl methyl-3 ',4' -epoxy cyclohexyl formic ether 泉州师范学院 2022-01-04 CN disclosed